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CHEBI:224763 - Aphidicolin A21

ChEBI IDCHEBI:224763
ChEBI NameAphidicolin A21
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O6
Net Charge0
Average Mass396.524
Monoisotopic Mass396.25119
SMILESCC(=O)OC[C@@]1(O)CC[C@]23[C@@H](CC[C@H]4[C@](C)(CO)[C@H](O)CC[C@@]42C)C[C@@H]1[C@@H]3O
InChIInChI=1S/C22H36O6/c1-13(24)28-12-21(27)8-9-22-14(10-15(21)18(22)26)4-5-16-19(2,11-23)17(25)6-7-20(16,22)3/h14-18,23,25-27H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21-,22+/m0/s1
InChIKeyAOQSNCRBXDAQPZ-JOFRPBRLSA-N
Species of MetaboliteComponentSourceComments
Botryotinia (ncbitaxon:40558) - PubMed (31403790)
ChEBI Ontology
Outgoing Relation(s)
Aphidicolin A21 (CHEBI:224763) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,2S,5R,6R,7R,10S,12R,13R,16S)-5,13,16-trihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
Manual XrefsDatabases
78966188ChemSpider